HRID2156639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11905

alpha-Bromo-o-chlorotoluene

C7H6BrCl

HCID10221333

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccccc1Cl

HCID18681150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6deebee072c4a9ab46c3bae0a5bca76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:15](=[O:16])([OH:17])[O-:18].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[nH:28][c:29]2[c:30]([n:31]1)[cH:32][cH:33][c:34]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:35]2.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:6][c:7]1[c:8]([CH2:9][Br:10])[cH:11][cH:12][cH:13][cH:14]1.[Na+:19].[OH2:41]>>[Cl:6][c:7]1[c:8]([CH2:9][n:31]2[c:27]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:28][c:29]3[c:30]2[cH:32][cH:33][c:34]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:35]3)[cH:11][cH:12][cH:13][cH:14]1